Deposited model

PDB 1GJ5|dpdb_vwz2813h

Deposited model

SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN

Program
X-PLOR 3.851
Model type
Deposited
Purpose
Reference
Authors
Katz, B.A., Sprengeler, P.A., Luong, C., Verner, E., Spencer, J.R., Breitenbucher, J.G., Hui, H., McGee, D., Allen, D., Martelli, A., Mackman, R.L.
Atoms
2,788
Residues
297
Protein chains
3
Unmodeled fraction
2.62%
Ligand
NA

Evaluations

R-work
0.193
R-free
0.233
Clashscore
5.7

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
THROMBIN36
  • ConstructLIGHT CHAIN, RESIDUES 328-363
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
THROMBIN258
  • ConstructHEAVY CHAIN, RESIDUES 364-620
Entity 3
MoleculeChainsLengthOrganismUniProtDetails
ACETYL HIRUDIN11
  • Hirudo medicinalis6421
—

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations